Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OCC(O)C(O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
PWCLNZPGEHTJSP-UHFFFAOYSA-N- Molecular formula
- C16H14N4O12
- Average molar mass
- 454.3 g/mol
Names & identifiers
- Preferred name
- 1,4-Bis-(2',4'-dinitrophenoxy)-butan-2,3-diol
- IUPAC
- 1,4-bis(2,4-dinitrophenoxy)butane-2,3-diol
Names & synonyms
SCHEMBL11154930PWCLNZPGEHTJSP-UHFFFAOYSA-N1,4-bis-(2',4'-dinitrophenoxy)-butan-2,3-diol
Database identifiers
- PubChem CID
- 20510280
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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